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CHEBI:36486 - 13-(β-D-glucosyloxy)docosanoic acid

ChEBI IDCHEBI:36486
ChEBI Name13-(β-D-glucosyloxy)docosanoic acid
Stars
ASCII Name13-(beta-D-glucosyloxy)docosanoic acid
DefinitionA β-D-glucoside consisting of docosanoic (behenic) acid having a β-D-glucosyloxy group at position 13.
Secondary ChEBI IDsCHEBI:752, CHEBI:17887
Last Modified14 March 2011
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC28H54O8
Net Charge0
Average Mass518.732
Monoisotopic Mass518.38187
SMILESCCCCCCCCCC(CCCCCCCCCCCC(=O)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C28H54O8/c1-2-3-4-5-9-12-15-18-22(35-28-27(34)26(33)25(32)23(21-29)36-28)19-16-13-10-7-6-8-11-14-17-20-24(30)31/h22-23,25-29,32-34H,2-21H2,1H3,(H,30,31)/t22?,23-,25-,26+,27-,28-/m1/s1
InChIKeyMVSYTBQOJXSHFZ-SFOFOFCKSA-N
ChEBI Ontology
Outgoing Relation(s)
13-(β-D-glucosyloxy)docosanoic acid (CHEBI:36486) has functional parent docosanoic acid (CHEBI:28941)
13-(β-D-glucosyloxy)docosanoic acid (CHEBI:36486) is a β-D-glucoside (CHEBI:22798)
13-(β-D-glucosyloxy)docosanoic acid (CHEBI:36486) is conjugate acid of 13-(β-D-glucosyloxy)docosanoate (CHEBI:36487)
Incoming Relation(s)
13-(β-D-glucosyloxy)docosanoate (CHEBI:36487) is conjugate base of 13-(β-D-glucosyloxy)docosanoic acid (CHEBI:36486)
IUPAC Name 
13-(β-D-glucopyranosyloxy)docosanoic acid
Manual XrefsDatabases
C04103KEGG COMPOUND